adamantane;ethenyl methyl carbonate

C14H22O3 — CID 22116710

IUPACadamantane;ethenyl methyl carbonate
SMILESC1C2CC3CC1CC(C2)C3.C=COC(=O)OC
InChIInChI=1S/C10H16.C4H6O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-7-4(5)6-2/h7-10H,1-6H2;3H,1H2,2H3
InChIKeyOCOYLZLLXLLTSL-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.75
Rot. Bonds1

About adamantane;ethenyl methyl carbonate

adamantane;ethenyl methyl carbonate (PubChem CID 22116710) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is adamantane;ethenyl methyl carbonate.

Molecular Properties

Compound Nameadamantane;ethenyl methyl carbonate
PubChem CID22116710
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameadamantane;ethenyl methyl carbonate
SMILESC1C2CC3CC1CC(C2)C3.C=COC(=O)OC
InChIInChI=1S/C10H16.C4H6O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-7-4(5)6-2/h7-10H,1-6H2;3H,1H2,2H3
InChIKeyOCOYLZLLXLLTSL-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of adamantane;ethenyl methyl carbonate?
The IUPAC name of adamantane;ethenyl methyl carbonate (CID 22116710) is adamantane;ethenyl methyl carbonate.
What is the SMILES notation for adamantane;ethenyl methyl carbonate?
The canonical SMILES for adamantane;ethenyl methyl carbonate is C1C2CC3CC1CC(C2)C3.C=COC(=O)OC.
What is the InChIKey of adamantane;ethenyl methyl carbonate?
The InChIKey is OCOYLZLLXLLTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C4H6O3/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-7-4(5)6-2/h7-10H,1-6H2;3H,1H2,2H3.
What are the key properties of adamantane;ethenyl methyl carbonate?
adamantane;ethenyl methyl carbonate has a molecular weight of 238.33 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;ethenyl methyl carbonate is sourced from PubChem (CID 22116710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).